[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C25H20N2O4 — CID 7240873

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 7240873) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 7240873
• Molecular Formula: C25H20N2O4
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.14
• IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)c1ccc[nH]1
• InChI: InChI=1S/C25H20N2O4/c28-22(21-11-4-12-26-21)15-31-25(29)23-18-8-1-2-10-20(18)27-24-16(6-3-9-19(23)24)14-17-7-5-13-30-17/h1-2,4-5,7-8,10-14,26H,3,6,9,15H2/b16-14-
• InChIKey: XAVULNPFJIQCHO-PEZBUJJGSA-N
• XLogP: 5.07
• TPSA: 85.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 7240873) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)c1ccc[nH]1.

What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is XAVULNPFJIQCHO-PEZBUJJGSA-N. The full InChI is InChI=1S/C25H20N2O4/c28-22(21-11-4-12-26-21)15-31-25(29)23-18-8-1-2-10-20(18)27-24-16(6-3-9-19(23)24)14-17-7-5-13-30-17/h1-2,4-5,7-8,10-14,26H,3,6,9,15H2/b16-14-.

What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 7240873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).